SCHEMBL799552

SCHEMBL799552

CC(C)(C)c1cncc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
HCAR2 Q8TDS4 1/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30581493 0.82 CYP11B2 (0.48) CYP19A1HCAR2CYP11B2CYP11B1
SCHEMBL16755475 0.82 CYP19A1 (0.38) CYP19A1HCAR2CHRNB2CHRNA4CYP11B2
SCHEMBL823824 0.82 GABRA1 (0.46) CYP19A1LMNAPOLBKIF11
SCHEMBL19558165 0.79 CYP19A1 (0.41) CYP19A1HCAR2CHRNB2CHRNA4CYP11B2
SCHEMBL24608378 0.79 CYP2C9 (0.39) CYP19A1HCAR2CHRNB2CHRNA4CYP11B2
SCHEMBL9255050 0.78 HCAR2 (0.40) CYP19A1HCAR2CHRNB2CHRNA4
SCHEMBL21902013 0.77 CYP19A1 (0.35) CYP19A1HCAR2CHRNB2CHRNA4CYP11B2
SCHEMBL876019 0.76 CYP19A1 (0.43) CYP19A1HCAR2CYP11B2CYP11B1POLB
SCHEMBL24608380 0.76 HCAR2 (0.48) HCAR2
SCHEMBL19251107 0.76 CHRNB2 (0.35) CYP19A1HCAR2CHRNB2CHRNA4CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
WO-2010120910-A1 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS THERAVANCE, INC. (US) 2010-10-21 WO disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 CYP19A1 35/4885HCAR2 1165/4885CHRNB2 3156/4885
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B CYP19A1 1263/4885HCAR2 68/4885CHRNB2 58/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 CYP19A1 964/4885HCAR2 2527/4885CHRNB2 4481/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CYP19A1 312/4885HCAR2 1480/4885CHRNB2 692/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 CYP19A1 1203/4885HCAR2 2662/4885CHRNB2 129/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 CYP19A1 33/4885HCAR2 1442/4885CHRNB2 2639/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CYP19A1 503/4885HCAR2 279/4885CHRNB2 4864/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CYP19A1 3814/4885HCAR2 214/4885CHRNB2 518/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CYP19A1 2867/4885HCAR2 4789/4885CHRNB2 4882/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 CYP19A1 4060/4885HCAR2 210/4885CHRNB2 10/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP19A1 4523/4885HCAR2 3430/4885CHRNB2 2690/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 CYP19A1 283/4885HCAR2 21/4885CHRNB2 2061/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CYP19A1 2394/4885HCAR2 173/4885CHRNB2 1732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.